4-[(3-Benzamidomethyl-6-phenyl-6,7-dihydro-5H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazin-7-yl)carbonyl]-3-phenyl-1,2,3-oxadiazol-3-ium-5-olate 0.06-hydrate

4-[(3-Benzamidomethyl-6-phenyl-6,7-dihydro-5H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazin-7-yl)carbonyl]-3-phenyl-1,2,3-oxadiazol-3-ium-5-olate 0.06-hydrate

The asymmetric unit of the title compound, C27H21N7O4S·0.06H2O, contains four syndone molecules and a water molecule with a site occupancy of 0.25. In two of the syndone molecules, three atoms in a terminal phenyl ring are disordered over two sets of sites, with occupancy ratios of 0.50...

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Main Authors: Balakrishna Kalluraya, Nithinchandra, Madhukar Hemamalini, Hoong-Kun Fun
Format: Article
Language:English
Published: International Union of Crystallography 2011-01-01
Series:Acta Crystallographica Section E
Online Access:http://scripts.iucr.org/cgi-bin/paper?S1600536810049998
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spelling doaj-50b7865593b34479957c3315c3a7eb432020-11-24T21:32:33ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682011-01-01671o128o12910.1107/S16005368100499984-[(3-Benzamidomethyl-6-phenyl-6,7-dihydro-5H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazin-7-yl)carbonyl]-3-phenyl-1,2,3-oxadiazol-3-ium-5-olate 0.06-hydrateBalakrishna KallurayaNithinchandraMadhukar HemamaliniHoong-Kun FunThe asymmetric unit of the title compound, C27H21N7O4S·0.06H2O, contains four syndone molecules and a water molecule with a site occupancy of 0.25. In two of the syndone molecules, three atoms in a terminal phenyl ring are disordered over two sets of sites, with occupancy ratios of 0.500 (18):0.500 (18) and 0.512 (17):0.488 (17). The dihedral angles between terminal phenyl rings for the syndone molecules are 23.3 (4), 45.57 (16), 68.46 (16) and 56.5 (3)°. In the crystal, molecules are connected via N—H...N, N—H...O, O—H...O, O—H...N and C—H...O hydrogen bonds, forming a three-dimensional network. http://scripts.iucr.org/cgi-bin/paper?S1600536810049998
collection DOAJ
language English
format Article
sources DOAJ
author Balakrishna Kalluraya
Nithinchandra
Madhukar Hemamalini
Hoong-Kun Fun
spellingShingle Balakrishna Kalluraya
Nithinchandra
Madhukar Hemamalini
Hoong-Kun Fun
4-[(3-Benzamidomethyl-6-phenyl-6,7-dihydro-5H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazin-7-yl)carbonyl]-3-phenyl-1,2,3-oxadiazol-3-ium-5-olate 0.06-hydrate
Acta Crystallographica Section E
author_facet Balakrishna Kalluraya
Nithinchandra
Madhukar Hemamalini
Hoong-Kun Fun
author_sort Balakrishna Kalluraya
title 4-[(3-Benzamidomethyl-6-phenyl-6,7-dihydro-5H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazin-7-yl)carbonyl]-3-phenyl-1,2,3-oxadiazol-3-ium-5-olate 0.06-hydrate
title_short 4-[(3-Benzamidomethyl-6-phenyl-6,7-dihydro-5H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazin-7-yl)carbonyl]-3-phenyl-1,2,3-oxadiazol-3-ium-5-olate 0.06-hydrate
title_full 4-[(3-Benzamidomethyl-6-phenyl-6,7-dihydro-5H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazin-7-yl)carbonyl]-3-phenyl-1,2,3-oxadiazol-3-ium-5-olate 0.06-hydrate
title_fullStr 4-[(3-Benzamidomethyl-6-phenyl-6,7-dihydro-5H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazin-7-yl)carbonyl]-3-phenyl-1,2,3-oxadiazol-3-ium-5-olate 0.06-hydrate
title_full_unstemmed 4-[(3-Benzamidomethyl-6-phenyl-6,7-dihydro-5H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazin-7-yl)carbonyl]-3-phenyl-1,2,3-oxadiazol-3-ium-5-olate 0.06-hydrate
title_sort 4-[(3-benzamidomethyl-6-phenyl-6,7-dihydro-5h-1,2,4-triazolo[3,4-b][1,3,4]thiadiazin-7-yl)carbonyl]-3-phenyl-1,2,3-oxadiazol-3-ium-5-olate 0.06-hydrate
publisher International Union of Crystallography
series Acta Crystallographica Section E
issn 1600-5368
publishDate 2011-01-01
description The asymmetric unit of the title compound, C27H21N7O4S·0.06H2O, contains four syndone molecules and a water molecule with a site occupancy of 0.25. In two of the syndone molecules, three atoms in a terminal phenyl ring are disordered over two sets of sites, with occupancy ratios of 0.500 (18):0.500 (18) and 0.512 (17):0.488 (17). The dihedral angles between terminal phenyl rings for the syndone molecules are 23.3 (4), 45.57 (16), 68.46 (16) and 56.5 (3)°. In the crystal, molecules are connected via N—H...N, N—H...O, O—H...O, O—H...N and C—H...O hydrogen bonds, forming a three-dimensional network.
url http://scripts.iucr.org/cgi-bin/paper?S1600536810049998
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AT nithinchandra 43benzamidomethyl6phenyl67dihydro5h124triazolo34b134thiadiazin7ylcarbonyl3phenyl123oxadiazol3ium5olate006hydrate
AT madhukarhemamalini 43benzamidomethyl6phenyl67dihydro5h124triazolo34b134thiadiazin7ylcarbonyl3phenyl123oxadiazol3ium5olate006hydrate
AT hoongkunfun 43benzamidomethyl6phenyl67dihydro5h124triazolo34b134thiadiazin7ylcarbonyl3phenyl123oxadiazol3ium5olate006hydrate
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